Geometry & MOs

Info

ID:	338566
PubChem CID:	127259577
Reduced:	NO2H23C27 (1)
Stoich.:	AB2C23D27 (1)
Weight, g/mol:	351.1987
ΔH_f, kcal/mol:	30.85
Dipole, Da:	2.85
IP(EA), eV:	-8.33(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-benzylidene-9-phenyl-2,3,4,6,7,8-hexahydro-1H-acridine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(C(=O)C3=CC=CC=C3)NC4=CC=CC=C4

DOS

IR

Vibrations